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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL260829
CHEMBL260829
Compound Name NEFIRACETAM
ChEMBL Synonyms NEFIRACETAM
Max Phase 2
Trade Names
Molecular Formula C14H18N2O2

Additional synonyms for CHEMBL260829 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1cccc(C)c1NC(=O)CN2CCCC2=O
Standard InChI InChI=1S/C14H18N2O2/c1-10-5-3-6-11(2)14(10)15-12(17)9-16-8-4 ...
Download InChI
Standard InChI Key NGHTXZCKLWZPGK-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL260829

Molecule Features

CHEMBL260829 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
Alzheimer DiseaseD000544EFO:0000249Alzheimers disease2ClinicalTrials

Clinical Data

ClinicalTrials.gov NEFIRACETAM
The Cochrane Collaboration NEFIRACETAM

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Target Predictions

The two tables below display ChEMBL single-protein targets which are predicted to interact with CHEMBL260829. A 1uM and 10 uM cut-off have been applied to ChEMBL bioactivity data used to generate the respective models and the yellow coloured rows correspond to genuine predictions, i.e. targets not included in the original training set for this compound.


1uM


ChEMBL_ID Target Name Organism Score
CHEMBL2026 Beta-lactamase AmpC Escherichia coli K-12 0.995
CHEMBL4096 Cellular tumor antigen p53 Homo sapiens 0.974
CHEMBL6141 Acyl-CoA:cholesterol acyltransferase Oryctolagus cuniculus 0.972
CHEMBL1287622 Lethal(3)malignant brain tumor-like protein 1 Homo sapiens 0.927
CHEMBL244 Coagulation factor X Homo sapiens 0.867
CHEMBL1293231 Nuclear receptor ROR-gamma Mus musculus 0.808
CHEMBL2392 DNA polymerase beta Homo sapiens 0.708
CHEMBL2608 Lysosomal alpha-glucosidase Homo sapiens 0.590
CHEMBL5514 Huntingtin Homo sapiens 0.475
CHEMBL3577 Aldehyde dehydrogenase 1A1 Homo sapiens 0.270
CHEMBL1947 Thyroid hormone receptor beta-1 Homo sapiens 0.224



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL2026 Beta-lactamase AmpC Escherichia coli K-12 0.991
CHEMBL6141 Acyl-CoA:cholesterol acyltransferase Oryctolagus cuniculus 0.966
CHEMBL4096 Cellular tumor antigen p53 Homo sapiens 0.938
CHEMBL2608 Lysosomal alpha-glucosidase Homo sapiens 0.848
CHEMBL2392 DNA polymerase beta Homo sapiens 0.772
CHEMBL1293231 Nuclear receptor ROR-gamma Mus musculus 0.704
CHEMBL1287622 Lethal(3)malignant brain tumor-like protein 1 Homo sapiens 0.687
CHEMBL6110 Thioredoxin glutathione reductase Schistosoma mansoni 0.636
CHEMBL1293299 Histone-lysine N-methyltransferase MLL Homo sapiens 0.591
CHEMBL3577 Aldehyde dehydrogenase 1A1 Homo sapiens 0.486
CHEMBL5514 Huntingtin Homo sapiens 0.439
CHEMBL244 Coagulation factor X Homo sapiens 0.402
CHEMBL1293224 Microtubule-associated protein tau Homo sapiens 0.368

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
246.3 246.1368 1.86 3 49.41 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 1 0 4 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.77 1.76 .64 .64 1 18 0.88

Structural Alerts

There are no structural alerts for CHEMBL260829

Compound Cross References

ChemSpider ChemSpider:NGHTXZCKLWZPGK-UHFFFAOYSA-N
PubChem SID: 144207070 SID: 144209114 SID: 144213342 SID: 170466286 SID: 174007185 SID: 90340767
Wikipedia Nefiracetam

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL260829



ACToR 77191-36-7
ChEBI 135004
DrugBank DB13082
DrugCentral 3376
eMolecules 2728962
EPA CompTox Dashboard DTXSID2020923
FDA SRS 1JK12GX30N
IBM Patent System 300D3873B9EFBD669EC65B76714C8698
LINCS LSM-45762
Mcule MCULE-6030817685
MolPort MolPort-006-666-274
Nikkaji J277.768A
PubChem 71157
PubChem: Drugs of the Future 12013546
PubChem: Thomson Pharma 14823324
Selleck Nefiracetam(Translon)
SureChEMBL SCHEMBL135856
ZINC ZINC000000003788

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/NGHTXZCKLWZPGK-UHFFFAOYSA-N spacer
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